5-methyl-3-octyl-2,4-bis(oxidanylidene)-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 5-methyl-3-octyl-2,4-bis(oxidanylidene)-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 5-methyl-3-octyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-3-octyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 5-methyl-3-octyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2,4-diketo-5-methyl-3-octyl-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C2=C(NC1=O)SC(=C2C)C(=O)O

Isomeric SMILES

CCCCCCCCN1C(=O)C2=C(NC1=O)SC(=C2C)C(=O)O

InChI

InChI=1S/C16H22N2O4S/c1-3-4-5-6-7-8-9-18-14(19)11-10(2)12(15(20)21)23-13(11)17-16(18)22/h3-9H2,1-2H3,(H,17,22)(H,20,21)